Molecule ID: mol20623
SMILES: Cc1cccc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)n1
InChI: InChI=1S/C22H22N2O3/c1-15-4-2-6-18(24-15)14-26-19-7-8-21-20(11-19)22(25)17(13-27-21)10-16-5-3-9-23-12-16/h2-9,11-12,17,22,25H,10,13-14H2,1H3/t17-,22-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.96 | Baltruschat ChEMBL | 1 » 0 |